SCHEMBL78713

SCHEMBL78713

COc1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA4 P22748 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NQO2 P16083 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30772335 1.00 CA12 (0.50) CA12CA1CA2CA7CA9
Fluoride SCHEMBL28106604 0.98 CA12 (0.48) CA12CA1CA2CA7CA9
1,2-Dimethoxybenzene SCHEMBL28073321 0.88 CA1 (0.62) CA12CA1CA2CA7CA9
Acetic Acid SCHEMBL6137012 0.88 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3790244 0.87 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL4965869 0.81 P2RX7 (0.49) CA12CA1CA2CA7CA9
SCHEMBL12541 0.79
SCHEMBL29635862 0.79
SCHEMBL6325195 0.79 RHEB (0.60) ALDH1A1TP53CYP3A4MAPTHPGD
SCHEMBL11766505 0.79 PNMT (0.48) ALDH1A1LMNAKDM4ETP53CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 453 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539036-B Method for efficiently synthesizing trichloromethoxybenzene by controlling chlorination depth 金凯(辽宁)生命科技股份有限公司 2023-12-08 CN claimed
WO-2015105406-A1 METHOD FOR THE BIOCONTROL OF PESTS, USING THE APPLICATION OF VOLATILE ORGANIC COMPOUNDS, IN CARICA PAPAYA DE COSS FLORES MARTHA ELENA (MX) 2015-07-16 WO claimed
EP-2258354-B1 Compounds and methods for controlling alcohol intake JNC INNOVATIONS (FR) 2013-05-08 EP claimed
EP-2178373-B1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2013-01-23 EP claimed
EP-2536718-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2012-12-26 EP claimed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US claimed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO claimed
WO-2011086071-A1 METHOD FOR THE SYNTHESIS OF 3,5-DICHLOROANISOLE FROM 1,3,5-TRICHLOROBENZENE Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2011-07-21 WO claimed
EP-2258354-A1 Compounds and methods for controlling alcohol intake JNC Innovations (FR) 2010-12-08 EP claimed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US claimed
US-20020151057-A1 Methods for generating doubled haploid maize plants NORTHWEST PLANT BREEDING CO. 2002-10-17 US claimed
US-20020104128-A1 Methods for generating doubled haploid plants NORTHWEST PLANT BREEDING COMPANY 2002-08-01 US claimed
WO-2002052926-A2 METHODS FOR GENERATING DOUBLED HAPLOID MAIZE PLANTS NORTHWEST PLANT BREEDING CO. (US) 2002-07-11 WO claimed
EP-1206524-A2 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS Northwest Plant Breeding Co. (US) 2002-05-22 EP claimed
US-6362393-B1 Methods for generating doubled haploid plants NORTHWEST PLANT BREEDING COMPANY 2002-03-26 US claimed
EP-1112347-A1 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS Northwest Plant Breeding Co. (US) 2001-07-04 EP claimed
WO-2001014518-A2 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING CO. (US) 2001-03-01 WO claimed
WO-2000014202-A1 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING COMPANY (US) 2000-03-16 WO claimed
US-4346244-A Preparation of chloroalkoxybenzenes RHONE-POULENC INDUSTRIES (FR) 1982-08-24 US claimed
US-4268691-A ANISOYL CHLORIDE, 2,3-DICHLOROANISOLE, LEWIS ACID, APROTIC SOLVENT ABBOTT LABORATORIES (US) 1981-05-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 CA12 2092/4885CA1 1027/4885CA2 939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.